SCHEMBL31333739

SCHEMBL31333739

CC(C)(C)OC(=O)[C@H]1CC[C@H](CN2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIN2B Q13224 6/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
STS P08842 1/20 0.44
FAAH O00519 1/20 0.43
PARP1 P09874 1/20 0.43
DRD2 P14416 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25261521 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29132380 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29132315 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2386800 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18921646 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25305746 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31334376 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2455884 0.87 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31334230 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29132279 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed